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Compound Detail

CHEMBL3128145

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CC1(C)OC(=O)c2c1ccnc2Nc1ccc(S(N)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3128145
Phase Preclinical
Structure Type MOL
InChI Key CCYJTYKXFKVEHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.88
ALogP
6
HBA
2
HBD
111.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O4S
MW 333.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
24534487 10.1016/j.bmcl.2014.01.072 Unchecked 3
24534487 10.1016/j.bmcl.2014.01.072 Cathepsin B 1
24534487 10.1016/j.bmcl.2014.01.072 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine